SCHEMBL6409489

SCHEMBL6409489

CCOc1ccc(OCC)c2c1nc([C@H](OC(=O)O[C@@H](c1nc3c(OCC)ccc(OCC)c3n1C)C(C)(C)Cc1ccc(N)cc1)C(C)(C)Cc1ccc(N)cc1)n2C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIB P23284 1/20 0.31
PPIA P62937 1/20 0.31
PPID Q08752 1/20 0.31
PPIG Q13427 1/20 0.31
TP53 P04637 1/20 0.31
CNR2 P34972 1/20 0.31
CCR5 P51681 2/20 0.31
ACACB O00763 5/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE5A O76074 1/20 0.30
TDP1 Q9NUW8 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6403241 0.72 TBXA2R (0.38) TP53CNR2MEN1ALDH1A1MAPT
SCHEMBL6403516 0.72 TBXA2R (0.38) TP53CNR2MEN1ALDH1A1MAPT
SCHEMBL6605887 0.72 KDM4E (0.35) TP53HSD17B10KDM4EALDH1A1MAPT
SCHEMBL6409426 0.72 KDM4E (0.35) TP53HSD17B10KDM4EALDH1A1MAPT
SCHEMBL6408016 0.72 KDM4E (0.35) TP53HSD17B10KDM4EALDH1A1MAPT
SCHEMBL6409487 0.68 TP53 (0.31) TP53HSD17B10NPC1USP2RAB9A
SCHEMBL6606317 0.66 KDM4E (0.38) TP53HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL8371644 0.65 ESR1 (0.35) HSD17B10KDM4EMEN1ALDH1A1MAPT
SCHEMBL2370973 0.55 MMP8 (0.59) PPIBPPIAPPIDPPIGHSD17B10
SCHEMBL15059305 0.54 EPHX2 (0.44) PPIBPPIAPPIDPPIGHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ PPIB 918/4885PPIA 688/4885PPID 977/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.